Geometry & MOs

Info

ID:	58289
PubChem CID:	24697488
Reduced:	BrNSO2H10C13 (1)
Stoich.:	ABCD2E10F13 (1)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	17.52
Dipole, Da:	4.62
IP(EA), eV:	-9.02(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-4-methylphenyl)-2-(1,2-benzoxazol-3-yl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C#N)OCC2=CC=C(S2)Br

DOS

IR

Vibrations